(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone

C14H16F3NO — CID 63188938

IUPAC(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCCC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C14H16F3NO/c1-2-9-3-5-18(6-4-9)14(19)10-7-11(15)13(17)12(16)8-10/h7-9H,2-6H2,1H3
InChIKeyHBAJNMHPRRTYEC-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.37
Rot. Bonds2

About (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone

(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone (PubChem CID 63188938) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone.

Molecular Properties

Compound Name(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
PubChem CID63188938
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
SMILESCCC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1
InChIInChI=1S/C14H16F3NO/c1-2-9-3-5-18(6-4-9)14(19)10-7-11(15)13(17)12(16)8-10/h7-9H,2-6H2,1H3
InChIKeyHBAJNMHPRRTYEC-UHFFFAOYSA-N
XLogP3.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-amino-5-fluoro-4-methylphenyl)-(4-ethylpiperidin-1-yl)methanone
CID 61114338
[4-(ethylaminomethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 80550856
(3-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 55158690
(4-methoxypiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63189041
[3-(2-bromoethyl)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 114801630
(4-cyclopropylpiperazin-1-yl)-(3,4,5-trifluorophenyl)methanone
CID 63188677
[3-(dimethylamino)pyrrolidin-1-yl]-(3,4,5-trifluorophenyl)methanone
CID 55159465
3-(4-ethylpiperidine-1-carbonyl)benzoic acid
CID 61421711
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956
(2-ethylthiomorpholin-4-yl)-(3,4,5-trifluorophenyl)methanone
CID 115661644
1-(3,4,5-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 55160200
(4-ethylpiperidin-1-yl)-(3-hydroxy-4-methylphenyl)methanone
CID 61421459

Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The IUPAC name of (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone (CID 63188938) is (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone.
What is the SMILES notation for (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The canonical SMILES for (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone is CCC1CCN(C(=O)c2cc(F)c(F)c(F)c2)CC1.
What is the InChIKey of (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
The InChIKey is HBAJNMHPRRTYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-2-9-3-5-18(6-4-9)14(19)10-7-11(15)13(17)12(16)8-10/h7-9H,2-6H2,1H3.
What are the key properties of (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone?
(4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone has a molecular weight of 271.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperidin-1-yl)-(3,4,5-trifluorophenyl)methanone is sourced from PubChem (CID 63188938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).